CID 42959257

1170395-91-1

Structural Information

Molecular Formula
C11H15NO4
SMILES
CC(C1=CC(=C(C=C1)OCC(=O)O)OC)N
InChI
InChI=1S/C11H15NO4/c1-7(12)8-3-4-9(10(5-8)15-2)16-6-11(13)14/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKey
JRXRMZMQYPBWRN-UHFFFAOYSA-N
Compound name
2-[4-(1-aminoethyl)-2-methoxyphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10011 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 149.1
[M+Na]+ 248.08933 155.6
[M-H]- 224.09283 151.1
[M+NH4]+ 243.13393 166.1
[M+K]+ 264.06327 154.6
[M+H-H2O]+ 208.09737 142.8
[M+HCOO]- 270.09831 170.9
[M+CH3COO]- 284.11396 190.6
[M+Na-2H]- 246.07478 151.0
[M]+ 225.09956 150.6
[M]- 225.10066 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.